2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]-N-(2-furfuryl)acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC=CO3)OC

InChI

InChI=1S/C21H19N3O4S/c1-26-18-8-6-14(10-19(18)27-2)17-7-5-15(11-22)21(24-17)29-13-20(25)23-12-16-4-3-9-28-16/h3-10H,12-13H2,1-2H3,(H,23,25)